443210 -OEChem-10051720213D 62 64 0 1 0 0 0 0 0999 V2000 -2.3963 -1.8806 -1.4706 P 0 0 1 0 0 0 0 0 0 0 0 0 -0.1944 -3.6742 -0.7015 P 0 0 2 0 0 0 0 0 0 0 0 0 3.3341 -1.4791 0.4551 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 0.7635 0.8086 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9749 -1.5226 3.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6817 -0.4092 -0.8724 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3008 2.1278 1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 3.8946 0.4046 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 -0.6282 0.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 -3.2587 -0.0459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 2.9764 2.0517 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 -2.2465 -0.9656 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 -2.8657 -0.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7606 2.3894 0.1997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -4.2748 0.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 -1.9970 -2.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -4.5666 -1.9058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8135 3.0965 -3.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1478 0.7539 -0.2183 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 2.7296 -1.5218 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 -1.2582 2.7455 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6613 -2.1663 1.5280 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8178 0.1242 2.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5701 -0.1172 0.8392 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2265 1.6857 0.7929 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0460 2.6398 0.9855 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8381 0.2634 1.1916 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7721 2.0850 0.3340 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5318 -0.1732 0.5264 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2230 -2.4172 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 2.9415 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.3646 -1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8019 1.9812 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5798 1.0834 -2.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2169 2.3893 -2.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 0.6458 -2.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -1.3763 3.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 -3.1198 1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3247 0.8651 2.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 0.4846 1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 -0.0065 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 1.7164 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 2.8096 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7218 0.2241 2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8835 2.0591 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 -1.1126 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 -2.9242 1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -1.4906 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 3.9634 0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 2.5038 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 -2.4342 3.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0011 2.0957 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 3.7618 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 -0.5834 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6117 -1.5247 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 3.6175 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 3.5154 2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 1.3351 -2.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0772 -0.3563 -2.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 0.6211 -3.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4262 -3.8027 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 -3.7049 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 16 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 2 17 2 0 0 0 0 3 22 1 0 0 0 0 3 24 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 21 1 0 0 0 0 5 51 1 0 0 0 0 6 29 1 0 0 0 0 7 25 1 0 0 0 0 7 52 1 0 0 0 0 8 26 1 0 0 0 0 8 53 1 0 0 0 0 9 27 1 0 0 0 0 9 55 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 57 1 0 0 0 0 13 61 1 0 0 0 0 14 33 2 0 0 0 0 15 62 1 0 0 0 0 18 35 2 0 0 0 0 19 24 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 33 1 0 0 0 0 20 35 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 30 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 31 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 M END > DB03751 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YSYKRGRSMLTJNL-URARBOGNSA-N/SDF?record_type=3d > CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O > InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1 > YSYKRGRSMLTJNL-URARBOGNSA-N > C16H26N2O16P2 > 564.329 > 564.075755818 > 13 > 62 > -2.0010101260902013 > 46.655311405153725 > 0 > 8 > 0 > 0 > {[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy}({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid > -1.21 > -3.7004195263333335 > -1.70 > 1 > -2 > 3 > -2 > 3.1763333991701703 > 1.7326050330379097 > -2.9810995834520586 > 271.30999999999995 > 109.30219999999998 > 9 > 0 > 1.12e+01 g/l > biotin > 0 $$$$